DI3
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
B1 | C | sing | 1.57Å | 1.57Å | |
B1 | O | sing | 1.42Å | 1.46Å | |
B1 | O1 | sing | 1.42Å | 1.43Å | |
C | C2 | sing | 1.53Å | 1.51Å | |
C | N | sing | 1.46Å | 1.50Å | |
C | H | sing | 1.09Å | 1.11Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C2 | H21 | sing | 1.09Å | 1.12Å | |
C2 | H22A | sing | 1.09Å | 1.11Å | |
C3 | C4 | sing | 1.53Å | 1.56Å | |
C3 | H31 | sing | 1.09Å | 1.11Å | |
C3 | H32 | sing | 1.09Å | 1.12Å | |
C4 | C5 | sing | 1.53Å | 1.56Å | |
C4 | H41 | sing | 1.09Å | 1.12Å | |
C4 | H42 | sing | 1.09Å | 1.12Å | |
C5 | C6 | sing | 1.51Å | 1.52Å | |
C5 | H51 | sing | 1.09Å | 1.12Å | |
C5 | H52 | sing | 1.09Å | 1.11Å | |
C6 | N1 | doub | 1.29Å | 1.26Å | |
C6 | N2 | sing | 1.37Å | 1.41Å | |
C7 | C8 | sing | 1.51Å | 1.58Å | |
C7 | C9 | sing | 1.54Å | 1.56Å | |
C7 | N3 | sing | 1.47Å | 1.51Å | |
C7 | H7 | sing | 1.09Å | 1.11Å | |
C8 | N | sing | 1.35Å | 1.36Å | |
C8 | O2 | doub | 1.21Å | 1.25Å | |
C9 | C10 | sing | 1.55Å | 1.51Å | |
C9 | H91 | sing | 1.09Å | 1.12Å | |
C9 | H92 | sing | 1.09Å | 1.12Å | |
C10 | C11 | sing | 1.55Å | 1.51Å | |
C10 | H101 | sing | 1.09Å | 1.11Å | |
C10 | H102 | sing | 1.09Å | 1.11Å | |
C11 | N3 | sing | 1.47Å | 1.46Å | |
C11 | H111 | sing | 1.09Å | 1.12Å | |
C11 | H112 | sing | 1.09Å | 1.11Å | |
C12 | C14 | sing | 1.51Å | 1.57Å | |
C12 | N3 | sing | 1.35Å | 1.37Å | |
C12 | O3 | doub | 1.21Å | 1.24Å | |
C13 | C14 | sing | 1.53Å | 1.55Å | |
C13 | C21 | sing | 1.51Å | 1.54Å | |
C13 | H131 | sing | 1.09Å | 1.12Å | |
C13 | H132 | sing | 1.09Å | 1.11Å | |
C14 | N4 | sing | 1.46Å | 1.49Å | |
C14 | H14 | sing | 1.09Å | 1.11Å | |
C15 | C16 | sing | 1.51Å | 1.53Å | |
C15 | N4 | sing | 1.35Å | 1.35Å | |
C15 | O4 | doub | 1.21Å | 1.25Å | |
C16 | H161 | sing | 1.09Å | 1.12Å | |
C16 | H162 | sing | 1.09Å | 1.11Å | |
C16 | H163 | sing | 1.09Å | 1.12Å | |
C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
C17 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
C17 | H17 | sing | 1.08Å | 1.10Å | |
C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
C18 | H18 | sing | 1.08Å | 1.10Å | |
C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
C19 | H19 | sing | 1.08Å | 1.10Å | |
C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
C20 | H20 | sing | 1.08Å | 1.10Å | |
C21 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
C22 | H22 | sing | 1.08Å | 1.10Å | |
N | HN | sing | 0.97Å | 1.02Å | |
N1 | HN1 | sing | 0.97Å | 1.02Å | |
N2 | HN21 | sing | 0.97Å | 1.02Å | |
N2 | HN22 | sing | 0.97Å | 1.02Å | |
N4 | HN4 | sing | 0.97Å | 1.02Å | |
O | HO | sing | 0.97Å | 0.95Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C | B1 | O | 108.2° | 120.0° |
C | B1 | O1 | 114.6° | 120.0° |
B1 | C | C2 | 110.3° | 109.5° |
B1 | C | N | 111.1° | 109.4° |
B1 | C | H | 111.7° | 109.4° |
O | B1 | O1 | 109.5° | 120.0° |
B1 | O | HO | 108.2° | 106.8° |
B1 | O1 | HO1 | 114.6° | 106.8° |
C2 | C | N | 118.8° | 109.5° |
C2 | C | H | 102.5° | 109.5° |
C | C2 | C3 | 122.2° | 109.5° |
C | C2 | H21 | 107.7° | 109.5° |
C | C2 | H22A | 107.7° | 109.4° |
N | C | H | 101.6° | 109.5° |
C | N | C8 | 118.6° | 120.0° |
C | N | HN | 125.5° | 120.0° |
C3 | C2 | H21 | 107.7° | 109.5° |
C3 | C2 | H22A | 107.7° | 109.4° |
C2 | C3 | C4 | 111.0° | 109.5° |
C2 | C3 | H31 | 111.6° | 109.5° |
C2 | C3 | H32 | 111.6° | 109.4° |
H21 | C2 | H22A | 102.1° | 109.5° |
C4 | C3 | H31 | 111.6° | 109.5° |
C4 | C3 | H32 | 111.6° | 109.4° |
C3 | C4 | C5 | 109.6° | 109.5° |
C3 | C4 | H41 | 112.1° | 109.5° |
C3 | C4 | H42 | 112.1° | 109.5° |
H31 | C3 | H32 | 98.8° | 109.5° |
C5 | C4 | H41 | 112.2° | 109.5° |
C5 | C4 | H42 | 112.2° | 109.4° |
C4 | C5 | C6 | 114.0° | 109.5° |
C4 | C5 | H51 | 110.5° | 109.5° |
C4 | C5 | H52 | 110.6° | 109.4° |
H41 | C4 | H42 | 98.2° | 109.5° |
C6 | C5 | H51 | 110.6° | 109.5° |
C6 | C5 | H52 | 110.5° | 109.4° |
C5 | C6 | N1 | 119.9° | 120.0° |
C5 | C6 | N2 | 121.5° | 120.1° |
H51 | C5 | H52 | 99.7° | 109.5° |
N1 | C6 | N2 | 118.6° | 120.0° |
C6 | N1 | HN1 | 112.5° | 120.0° |
C6 | N2 | HN21 | 121.5° | 120.1° |
C6 | N2 | HN22 | 107.9° | 120.0° |
C8 | C7 | C9 | 106.5° | 109.9° |
C8 | C7 | N3 | 113.3° | 110.3° |
C8 | C7 | H7 | 107.0° | 109.9° |
C7 | C8 | N | 120.4° | 120.0° |
C7 | C8 | O2 | 115.9° | 120.0° |
C9 | C7 | N3 | 102.4° | 107.3° |
C9 | C7 | H7 | 117.1° | 109.9° |
C7 | C9 | C10 | 108.9° | 103.0° |
C7 | C9 | H91 | 112.4° | 110.8° |
C7 | C9 | H92 | 112.4° | 110.5° |
N3 | C7 | H7 | 110.7° | 109.6° |
C7 | N3 | C11 | 114.1° | 108.7° |
C7 | N3 | C12 | 121.3° | 125.7° |
N | C8 | O2 | 123.7° | 120.0° |
C8 | N | HN | 115.9° | 120.0° |
C10 | C9 | H91 | 112.4° | 110.7° |
C10 | C9 | H92 | 112.5° | 110.7° |
C9 | C10 | C11 | 108.1° | 101.6° |
C9 | C10 | H101 | 112.7° | 111.0° |
C9 | C10 | H102 | 112.7° | 111.0° |
H91 | C9 | H92 | 98.0° | 110.9° |
C11 | C10 | H101 | 112.7° | 111.0° |
C11 | C10 | H102 | 112.7° | 111.0° |
C10 | C11 | N3 | 106.2° | 104.8° |
C10 | C11 | H111 | 113.4° | 110.4° |
C10 | C11 | H112 | 113.4° | 110.3° |
H101 | C10 | H102 | 97.8° | 111.0° |
N3 | C11 | H111 | 113.4° | 110.3° |
N3 | C11 | H112 | 113.4° | 110.4° |
C11 | N3 | C12 | 124.5° | 125.7° |
H111 | C11 | H112 | 97.1° | 110.5° |
C14 | C12 | N3 | 122.6° | 120.0° |
C14 | C12 | O3 | 116.5° | 120.0° |
C12 | C14 | C13 | 114.1° | 109.5° |
C12 | C14 | N4 | 105.1° | 109.4° |
C12 | C14 | H14 | 109.8° | 109.4° |
N3 | C12 | O3 | 120.9° | 120.0° |
C14 | C13 | C21 | 118.7° | 109.5° |
C14 | C13 | H131 | 108.8° | 109.5° |
C14 | C13 | H132 | 108.9° | 109.5° |
C13 | C14 | N4 | 110.7° | 109.5° |
C13 | C14 | H14 | 104.1° | 109.5° |
C21 | C13 | H131 | 108.9° | 109.5° |
C21 | C13 | H132 | 108.9° | 109.4° |
C13 | C21 | C20 | 120.9° | 120.0° |
C13 | C21 | C22 | 120.6° | 120.0° |
H131 | C13 | H132 | 101.2° | 109.4° |
N4 | C14 | H14 | 113.3° | 109.5° |
C14 | N4 | C15 | 123.3° | 120.0° |
C14 | N4 | HN4 | 123.8° | 120.0° |
C16 | C15 | N4 | 117.0° | 120.0° |
C16 | C15 | O4 | 120.2° | 120.0° |
C15 | C16 | H161 | 117.0° | 109.4° |
C15 | C16 | H162 | 109.5° | 109.4° |
C15 | C16 | H163 | 109.5° | 109.5° |
N4 | C15 | O4 | 122.8° | 120.0° |
C15 | N4 | HN4 | 112.9° | 120.0° |
H161 | C16 | H162 | 109.6° | 109.5° |
H161 | C16 | H163 | 109.4° | 109.5° |
H162 | C16 | H163 | 100.6° | 109.5° |
C18 | C17 | C22 | 120.1° | 120.0° |
C18 | C17 | H17 | 119.4° | 120.0° |
C17 | C18 | C19 | 119.9° | 120.0° |
C17 | C18 | H18 | 119.4° | 120.1° |
C22 | C17 | H17 | 120.5° | 120.0° |
C17 | C22 | C21 | 120.7° | 120.0° |
C17 | C22 | H22 | 119.2° | 120.0° |
C19 | C18 | H18 | 120.6° | 120.0° |
C18 | C19 | C20 | 120.0° | 120.0° |
C18 | C19 | H19 | 120.1° | 120.0° |
C20 | C19 | H19 | 119.9° | 120.0° |
C19 | C20 | C21 | 120.8° | 120.1° |
C19 | C20 | H20 | 119.7° | 120.0° |
C21 | C20 | H20 | 119.5° | 120.0° |
C20 | C21 | C22 | 118.4° | 120.0° |
C21 | C22 | H22 | 120.2° | 120.0° |
HN21 | N2 | HN22 | 107.9° | 119.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C | B1 | O | O1 | 125.6° | 179.9° |
B1 | C | C2 | N | 130.0° | 120.0° |
B1 | C | C2 | H | 119.1° | 120.0° |
B1 | C | N | H | 119.0° | 119.9° |
B1 | C | C2 | C3 | 90.8° | 59.9° |
B1 | C | C2 | H21 | 34.4° | 180.0° |
B1 | C | C2 | H22A | 143.9° | 60.0° |
B1 | C | N | C8 | 104.8° | 90.0° |
B1 | C | N | HN | 75.2° | 90.0° |
C | B1 | O | HO | 180.0° | 180.0° |
C | B1 | O1 | HO1 | 180.0° | 0.1° |
O | B1 | C | C2 | 40.2° | 60.0° |
O | B1 | C | N | 174.1° | 60.1° |
O | B1 | C | H | 73.2° | 180.0° |
O | B1 | O1 | HO1 | 58.2° | 180.0° |
O1 | B1 | C | C2 | 162.7° | 119.9° |
O1 | B1 | C | N | 63.4° | 120.0° |
O1 | B1 | C | H | 49.3° | 0.1° |
O1 | B1 | O | HO | 54.5° | 0.1° |
C2 | C | N | H | 111.4° | 120.0° |
C | C2 | C3 | H21 | 125.3° | 120.1° |
C | C2 | C3 | H22A | 125.3° | 119.9° |
C | C2 | H21 | H22A | 113.2° | 120.0° |
C | C2 | C3 | C4 | 167.7° | 180.0° |
C | C2 | C3 | H31 | 42.5° | 59.9° |
C | C2 | C3 | H32 | 67.0° | 60.1° |
C2 | C | N | C8 | 125.6° | 150.0° |
C2 | C | N | HN | 54.4° | 30.0° |
N | C | C2 | C3 | 39.1° | 179.9° |
N | C | C2 | H21 | 164.4° | 60.0° |
N | C | C2 | H22A | 86.1° | 60.0° |
C | N | C8 | C7 | 177.1° | 180.0° |
C | N | C8 | HN | 180.0° | 180.0° |
C | N | C8 | O2 | 2.4° | 0.0° |
H | C | C2 | C3 | 150.0° | 60.0° |
H | C | C2 | H21 | 84.7° | 60.0° |
H | C | C2 | H22A | 24.7° | 179.9° |
H | C | N | C8 | 14.2° | 29.9° |
H | C | N | HN | 165.8° | 150.1° |
C3 | C2 | H21 | H22A | 113.2° | 119.9° |
C2 | C3 | C4 | H31 | 125.3° | 120.1° |
C2 | C3 | C4 | H32 | 125.2° | 119.9° |
C2 | C3 | H31 | H32 | 117.6° | 119.9° |
C2 | C3 | C4 | C5 | 94.4° | 180.0° |
C2 | C3 | C4 | H41 | 140.3° | 60.0° |
C2 | C3 | C4 | H42 | 30.9° | 60.1° |
H21 | C2 | C3 | C4 | 67.0° | 59.9° |
H21 | C2 | C3 | H31 | 167.7° | 180.0° |
H21 | C2 | C3 | H32 | 58.2° | 60.0° |
H22A | C2 | C3 | C4 | 42.4° | 60.1° |
H22A | C2 | C3 | H31 | 82.8° | 60.0° |
H22A | C2 | C3 | H32 | 167.7° | 180.0° |
C4 | C3 | H31 | H32 | 117.5° | 120.0° |
C3 | C4 | C5 | H41 | 125.3° | 120.0° |
C3 | C4 | C5 | H42 | 125.3° | 120.0° |
C3 | C4 | H41 | H42 | 118.0° | 120.0° |
C3 | C4 | C5 | C6 | 150.6° | 180.0° |
C3 | C4 | C5 | H51 | 84.1° | 60.0° |
C3 | C4 | C5 | H52 | 25.4° | 60.1° |
H31 | C3 | C4 | C5 | 30.8° | 59.9° |
H31 | C3 | C4 | H41 | 94.5° | 180.0° |
H31 | C3 | C4 | H42 | 156.1° | 60.0° |
H32 | C3 | C4 | C5 | 140.3° | 60.1° |
H32 | C3 | C4 | H41 | 15.0° | 60.0° |
H32 | C3 | C4 | H42 | 94.4° | 180.0° |
C5 | C4 | H41 | H42 | 118.1° | 119.9° |
C4 | C5 | C6 | H51 | 125.3° | 120.0° |
C4 | C5 | C6 | H52 | 125.2° | 120.0° |
C4 | C5 | H51 | H52 | 116.4° | 120.0° |
C4 | C5 | C6 | N1 | 127.6° | 0.0° |
C4 | C5 | C6 | N2 | 52.3° | 179.9° |
H41 | C4 | C5 | C6 | 25.3° | 60.0° |
H41 | C4 | C5 | H51 | 150.6° | 180.0° |
H41 | C4 | C5 | H52 | 99.9° | 60.0° |
H42 | C4 | C5 | C6 | 84.1° | 60.0° |
H42 | C4 | C5 | H51 | 41.2° | 60.0° |
H42 | C4 | C5 | H52 | 150.7° | 180.0° |
C6 | C5 | H51 | H52 | 116.4° | 120.0° |
C5 | C6 | N1 | N2 | 179.9° | 180.0° |
C5 | C6 | N1 | HN1 | 110.5° | 180.0° |
C5 | C6 | N2 | HN21 | 180.0° | 180.0° |
C5 | C6 | N2 | HN22 | 54.8° | 0.0° |
H51 | C5 | C6 | N1 | 2.4° | 120.0° |
H51 | C5 | C6 | N2 | 177.6° | 60.0° |
H52 | C5 | C6 | N1 | 107.1° | 120.0° |
H52 | C5 | C6 | N2 | 72.9° | 60.0° |
N1 | C6 | N2 | HN21 | 0.0° | 0.0° |
N1 | C6 | N2 | HN22 | 125.2° | 180.0° |
N2 | C6 | N1 | HN1 | 69.4° | 0.0° |
C6 | N2 | HN21 | HN22 | 125.2° | 180.0° |
C8 | C7 | C9 | N3 | 119.2° | 119.9° |
C8 | C7 | C9 | H7 | 119.5° | 121.0° |
C8 | C7 | N3 | H7 | 120.2° | 121.1° |
C7 | C8 | N | O2 | 179.5° | 180.0° |
C8 | C7 | C9 | C10 | 118.2° | 141.7° |
C8 | C7 | C9 | H91 | 7.1° | 99.9° |
C8 | C7 | C9 | H92 | 116.5° | 23.5° |
C8 | C7 | N3 | C11 | 110.3° | 118.2° |
C8 | C7 | N3 | C12 | 66.7° | 61.5° |
C7 | C8 | N | HN | 2.9° | 0.0° |
C9 | C7 | N3 | H7 | 125.6° | 119.2° |
C9 | C7 | C8 | N | 117.2° | 61.4° |
C9 | C7 | C8 | O2 | 62.3° | 118.6° |
C7 | C9 | C10 | H91 | 125.2° | 118.5° |
C7 | C9 | C10 | H92 | 125.3° | 118.1° |
C7 | C9 | H91 | H92 | 118.3° | 123.1° |
C7 | C9 | C10 | C11 | 2.1° | 35.3° |
C7 | C9 | C10 | H101 | 127.3° | 82.8° |
C7 | C9 | C10 | H102 | 123.2° | 153.3° |
C9 | C7 | N3 | C11 | 3.9° | 1.4° |
C9 | C7 | N3 | C12 | 179.0° | 178.9° |
N3 | C7 | C8 | N | 131.0° | 179.5° |
N3 | C7 | C8 | O2 | 49.5° | 0.5° |
N3 | C7 | C9 | C10 | 1.0° | 21.8° |
N3 | C7 | C9 | H91 | 126.2° | 140.2° |
N3 | C7 | C9 | H92 | 124.4° | 96.4° |
C7 | N3 | C11 | C10 | 5.3° | 24.4° |
C7 | N3 | C11 | C12 | 176.9° | 179.7° |
C7 | N3 | C11 | H111 | 119.9° | 143.2° |
C7 | N3 | C11 | H112 | 130.6° | 94.4° |
C7 | N3 | C12 | C14 | 176.6° | 179.7° |
C7 | N3 | C12 | O3 | 1.1° | 0.3° |
H7 | C7 | C8 | N | 8.7° | 59.6° |
H7 | C7 | C8 | O2 | 171.8° | 120.4° |
H7 | C7 | C9 | C10 | 122.3° | 97.3° |
H7 | C7 | C9 | H91 | 112.4° | 21.1° |
H7 | C7 | C9 | H92 | 3.0° | 144.5° |
H7 | C7 | N3 | C11 | 129.5° | 120.7° |
H7 | C7 | N3 | C12 | 53.4° | 59.6° |
O2 | C8 | N | HN | 177.6° | 180.0° |
C10 | C9 | H91 | H92 | 118.4° | 123.2° |
C9 | C10 | C11 | H101 | 125.2° | 118.1° |
C9 | C10 | C11 | H102 | 125.3° | 118.0° |
C9 | C10 | H101 | H102 | 118.7° | 123.9° |
C9 | C10 | C11 | N3 | 4.4° | 37.0° |
C9 | C10 | C11 | H111 | 120.8° | 155.8° |
C9 | C10 | C11 | H112 | 129.6° | 81.8° |
H91 | C9 | C10 | C11 | 123.2° | 153.8° |
H91 | C9 | C10 | H101 | 2.1° | 35.8° |
H91 | C9 | C10 | H102 | 111.6° | 88.1° |
H92 | C9 | C10 | C11 | 127.4° | 82.8° |
H92 | C9 | C10 | H101 | 107.4° | 159.1° |
H92 | C9 | C10 | H102 | 2.1° | 35.2° |
C11 | C10 | H101 | H102 | 118.7° | 123.9° |
C10 | C11 | N3 | H111 | 125.2° | 118.8° |
C10 | C11 | N3 | H112 | 125.3° | 118.8° |
C10 | C11 | H111 | H112 | 119.4° | 122.3° |
C10 | C11 | N3 | C12 | 177.7° | 155.9° |
H101 | C10 | C11 | N3 | 129.6° | 81.1° |
H101 | C10 | C11 | H111 | 4.4° | 37.7° |
H101 | C10 | C11 | H112 | 105.2° | 160.1° |
H102 | C10 | C11 | N3 | 120.9° | 155.1° |
H102 | C10 | C11 | H111 | 113.9° | 86.1° |
H102 | C10 | C11 | H112 | 4.4° | 36.3° |
N3 | C11 | H111 | H112 | 119.4° | 122.3° |
C11 | N3 | C12 | C14 | 0.1° | 0.1° |
C11 | N3 | C12 | O3 | 177.8° | 179.9° |
H111 | C11 | N3 | C12 | 57.1° | 37.1° |
H112 | C11 | N3 | C12 | 52.5° | 85.3° |
C14 | C12 | N3 | O3 | 177.8° | 180.0° |
C12 | C14 | C13 | N4 | 118.2° | 120.0° |
C12 | C14 | C13 | H14 | 119.7° | 120.0° |
C12 | C14 | C13 | C21 | 52.7° | NaN° |
C12 | C14 | C13 | H131 | 72.5° | 60.0° |
C12 | C14 | C13 | H132 | 178.0° | 60.0° |
C12 | C14 | N4 | H14 | 119.8° | 120.0° |
C12 | C14 | N4 | C15 | 117.0° | 60.0° |
C12 | C14 | N4 | HN4 | 63.0° | 120.0° |
N3 | C12 | C14 | C13 | 104.2° | 90.0° |
N3 | C12 | C14 | N4 | 134.4° | 150.0° |
N3 | C12 | C14 | H14 | 12.3° | 30.0° |
O3 | C12 | C14 | C13 | 77.9° | 90.0° |
O3 | C12 | C14 | N4 | 43.5° | 30.0° |
O3 | C12 | C14 | H14 | 165.6° | 150.0° |
C14 | C13 | C21 | H131 | 125.2° | 120.0° |
C14 | C13 | C21 | H132 | 125.3° | 120.0° |
C14 | C13 | H131 | H132 | 114.6° | 120.0° |
C13 | C14 | N4 | H14 | 116.5° | 120.0° |
C13 | C14 | N4 | C15 | 119.4° | 60.0° |
C14 | C13 | C21 | C20 | 114.1° | 90.0° |
C14 | C13 | C21 | C22 | 66.3° | 90.3° |
C13 | C14 | N4 | HN4 | 60.6° | 120.0° |
C21 | C13 | H131 | H132 | 114.6° | 119.9° |
C21 | C13 | C14 | N4 | 171.0° | 60.0° |
C21 | C13 | C14 | H14 | 66.9° | 60.0° |
C13 | C21 | C22 | C17 | 179.1° | 179.8° |
C13 | C21 | C20 | C19 | 178.3° | 180.0° |
C13 | C21 | C20 | C22 | 179.6° | 179.7° |
C13 | C21 | C20 | H20 | 1.8° | 0.0° |
C13 | C21 | C22 | H22 | 1.0° | 0.2° |
H131 | C13 | C14 | N4 | 45.8° | 180.0° |
H131 | C13 | C14 | H14 | 167.8° | 60.0° |
H131 | C13 | C21 | C20 | 11.1° | 30.0° |
H131 | C13 | C21 | C22 | 168.5° | 149.7° |
H132 | C13 | C14 | N4 | 63.7° | 60.0° |
H132 | C13 | C14 | H14 | 58.3° | 180.0° |
H132 | C13 | C21 | C20 | 120.6° | 150.0° |
H132 | C13 | C21 | C22 | 59.0° | 29.8° |
C14 | N4 | C15 | C16 | 178.0° | 180.0° |
C14 | N4 | C15 | HN4 | 180.0° | 180.0° |
C14 | N4 | C15 | O4 | 3.6° | 0.0° |
H14 | C14 | N4 | C15 | 2.9° | 180.0° |
H14 | C14 | N4 | HN4 | 177.2° | 0.0° |
C16 | C15 | N4 | O4 | 178.4° | 180.0° |
C15 | C16 | H161 | H162 | 125.3° | 119.9° |
C15 | C16 | H161 | H163 | 125.2° | 120.0° |
C15 | C16 | H162 | H163 | 115.3° | 120.0° |
C16 | C15 | N4 | HN4 | 2.0° | 0.0° |
N4 | C15 | C16 | H161 | 179.9° | 180.0° |
N4 | C15 | C16 | H162 | 54.7° | 60.0° |
N4 | C15 | C16 | H163 | 54.8° | 60.0° |
O4 | C15 | C16 | H161 | 1.6° | 0.0° |
O4 | C15 | C16 | H162 | 123.8° | 120.0° |
O4 | C15 | C16 | H163 | 126.8° | 120.0° |
O4 | C15 | N4 | HN4 | 176.5° | 180.0° |
H161 | C16 | H162 | H163 | 115.2° | 120.0° |
C18 | C17 | C22 | H17 | 180.0° | 179.8° |
C17 | C18 | C19 | H18 | 180.0° | 180.0° |
C17 | C18 | C19 | C20 | 0.6° | 0.0° |
C17 | C18 | C19 | H19 | 179.5° | 180.0° |
C18 | C17 | C22 | C21 | 0.3° | 0.4° |
C18 | C17 | C22 | H22 | 179.7° | 180.0° |
C22 | C17 | C18 | C19 | 0.3° | 0.2° |
C22 | C17 | C18 | H18 | 179.7° | 179.8° |
C17 | C22 | C21 | C20 | 0.5° | 0.5° |
C17 | C22 | C21 | H22 | 179.9° | 179.6° |
H17 | C17 | C18 | C19 | 179.7° | 180.0° |
H17 | C17 | C18 | H18 | 0.3° | 0.0° |
H17 | C17 | C22 | C21 | 179.6° | 179.8° |
H17 | C17 | C22 | H22 | 0.3° | 0.2° |
C18 | C19 | C20 | H19 | 180.0° | 180.0° |
C18 | C19 | C20 | C21 | 1.4° | 0.0° |
C18 | C19 | C20 | H20 | 178.6° | 180.0° |
H18 | C18 | C19 | C20 | 179.4° | 180.0° |
H18 | C18 | C19 | H19 | 0.6° | 0.0° |
C19 | C20 | C21 | H20 | 179.9° | 180.0° |
C19 | C20 | C21 | C22 | 1.3° | 0.3° |
H19 | C19 | C20 | C21 | 178.7° | 180.0° |
H19 | C19 | C20 | H20 | 1.4° | 0.0° |
C20 | C21 | C22 | H22 | 179.5° | 179.9° |
H20 | C20 | C21 | C22 | 178.6° | 179.8° |